Information card for entry 7232079

Structure parameters

• Formula: C6 H9 N4 O8 P
• Calculated formula: C6 H9 N4 O8 P
• Title of publication: Multicomponent crystals of nitrofurazone – when more is less
• Authors of publication: Sharara, Kudzaishe N.; Nyamayaro, Kudzanai; Wicht, Merrill M.; Venter, Gerhard A.; Báthori, Nikoletta B.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1091
• a: 4.4913 ± 0.0009 Å
• b: 10.893 ± 0.002 Å
• c: 12.672 ± 0.003 Å
• α: 106.87 ± 0.03°
• β: 99.66 ± 0.03°
• γ: 92.3 ± 0.03°
• Cell volume: 582.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No